1-(4-butylsulfanyl-3-nitro-phenyl)ethanone

Systemtic Name: 1-(4-butylsulfanyl-3-nitro-phenyl)ethanone Openeye Name: 1-(4-butylsulfanyl-3-nitro-phenyl)ethanone CAS Name: 1-[4-(butylthio)-3-nitrophenyl]ethanone IUPAC Name: 1-(4-butylsulfanyl-3-nitrophenyl)ethanone Traditional Name: 1-[4-(butylthio)-3-nitro-phenyl]ethanone Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-3-4-7-17-12-6-5-10(9(2)14)8-11(12)13(15)16/h5-6,8H,3-4,7H2,1-2H3